(4-cyclopentyl-4-oxidanyl-4-phenyl-but-2-ynyl)-bis(2-hydroxyethyl)azanium chloride

Systemtic Name: (4-cyclopentyl-4-oxidanyl-4-phenyl-but-2-ynyl)-bis(2-hydroxyethyl)azanium chloride Openeye Name: (4-cyclopentyl-4-hydroxy-4-phenyl-but-2-ynyl)-bis(2-hydroxyethyl)ammonium chloride CAS Name: (4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-bis(2-hydroxyethyl)ammonium chloride IUPAC Name: (4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-bis(2-hydroxyethyl)azanium chloride Traditional Name: (4-cyclopentyl-4-hydroxy-4-phenyl-but-2-ynyl)-bis(2-hydroxyethyl)ammonium chloride Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C#CC[NH+](CCO)CCO)(C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

C1CCC(C1)C(C#CC[NH+](CCO)CCO)(C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C19H27NO3.ClH/c21-15-13-20(14-16-22)12-6-11-19(23,18-9-4-5-10-18)17-7-2-1-3-8-17;/h1-3,7-8,18,21-23H,4-5,9-10,12-16H2;1H